SCHEMBL5111138

SCHEMBL5111138

O=C(O)c1cnc(-c2ccc(C(F)(F)F)c(F)c2)nc1Oc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 3/20 0.41
CYP11B2 P19099 1/20 0.40
KIF11 P52732 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SCN9A Q15858 2/20 0.39
RORC P51449 2/20 0.39
PPARD Q03181 1/20 0.39
PTGER4 P35408 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PIN1 Q13526 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5125877 0.89 TDP1 (0.56) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5124912 0.88 CYP1A2 (0.55) KMT2ACYP1A2CYP2C9CYP2C19POLB
SCHEMBL5285421 0.87 LMNA (0.41) MEN1KMT2ACYP11B2KIF11PPARD
SCHEMBL5126654 0.87 TDP1 (0.51) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5119450 0.86 TDP1 (0.54) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5117637 0.84 TDP1 (0.60) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5114057 0.84 TDP1 (0.53) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5119039 0.84 TDP1 (0.52) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL27725403 0.83 TDP1 (0.47) TDP1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL5115225 0.83 TDP1 (0.56) TDP1MEN1KMT2ACYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 US disclosed
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 US disclosed
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-08-14 US disclosed
CN-101175731-A Pyrimidine carboxylic acid derivatives and uses thereof BAYER HEALTHCARE AG (DE) 2008-05-07 CN disclosed
EP-1866289-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-12-19 EP disclosed
WO-2006097220-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-09-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194598-A1 Pyrimidine Carboxylic Acid Derivatives and Use Thereof DPYD, TYMP, TYMS TDP1 273/4885MEN1 4226/4885KMT2A 3441/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.